logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01724007

 MMsINC code: MMs02348080
Type: Neutral
Formula: C10H10O
SMILES:   o1cc(c2c1cc(cc2)C)C
InChI:   InChI=1/C10H10O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-6H,1-2H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=27.4863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.189 g/mol  logS: -3.4646  SlogP: 3.04964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218836  Sterimol/B1: 2.51226  Sterimol/B2: 2.51511  Sterimol/B3: 3.72026
  Sterimol/B4: 3.85103  Sterimol/L: 11.1544 
 
 Surface and Volume Properties
  Accessible surface: 347.582  Positive charged surface: 191.869  Negative charged surface: 150.701  Volume: 158.25
  Hydrophobic surface: 334.245  Hydrophilic surface: 13.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.